# Copyright 2013-2024 Lawrence Livermore National Security, LLC and other # Spack Project Developers. See the top-level COPYRIGHT file for details. # # SPDX-License-Identifier: (Apache-2.0 OR MIT) from spack.package import * class PyParmed(PythonPackage): """ParmEd is a general tool for aiding in investigations of biomolecular systems using popular molecular simulation packages, like Amber, CHARMM, and OpenMM written in Python.""" homepage = "https://parmed.github.io/ParmEd/html/index.html" pypi = "ParmEd/ParmEd-3.4.3.tar.gz" license("MIT") version("3.4.3", sha256="90afb155e3ffe69230a002922b28968464126d4450059f0bd97ceca679c6627c") depends_on("python@2.7:", type=("build", "run")) depends_on("py-setuptools", type="build")